Name: Name:Benzoic acid, 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester
Brand: Angene
SKU: AG001WFQ
Rating: 90 (10 reviews)

Benzoic acid, 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester

CAS No.:

165963-72-4

Catalog Number:

AG001WFQ

Molecular Formula:

C10H7F3N2O3

Molecular Weight:

260.1694

Catalog Number:

AG001WFQ

Chemical Name:

Benzoic acid, 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester

CAS Number:

165963-72-4

Molecular Formula:

C10H7F3N2O3

Molecular Weight:

260.1694

IUPAC Name:

methyl 2-hydroxy-4-[3-(trifluoromethyl)diazirin-3-yl]benzoate

InChI:

InChI=1S/C10H7F3N2O3/c1-18-8(17)6-3-2-5(4-7(6)16)9(14-15-9)10(11,12)13/h2-4,16H,1H3

InChI Key:

UESDLZIPGDGBBE-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1O)C1(N=N1)C(F)(F)F

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.172g/mol

Monoisotopic Mass:

260.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: